SCHEMBL10161469

SCHEMBL10161469

Cc1cc2cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc2c(OC(=O)OC(C)(C)C)c1C(=O)Oc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
THRB P10828 1/20 0.30
MMP13 P45452 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10161473 0.87 ELANE (0.31) ELANEMMP13
SCHEMBL10161454 0.86 MAPT (0.39) ELANECYP1A2CYP2C9CYP2C19TP53
SCHEMBL10161368 0.81 POLB (0.35) ELANECYP1A2CYP2C9CYP2C19MAPT
SCHEMBL16299373 0.79 ELANE (0.36) ELANECYP1A2CYP2C9CYP2C19MAPT
SCHEMBL10160466 0.78 MAPT (0.36) ELANECYP1A2CYP2C9CYP2C19TP53
SCHEMBL10160837 0.76 ELANE (0.36) ELANECYP1A2CYP2C9CYP2C19TP53
SCHEMBL10160934 0.75 SOS1 (0.33) ELANECYP1A2CYP2C9CYP2C19TP53
SCHEMBL10161353 0.73 POLB (0.38) ELANECYP1A2CYP2C9CYP2C19TP53
SCHEMBL10161423 0.73 MAPT (0.36) ELANETP53MAPTKMT2ARAB9A
SCHEMBL10161362 0.70 ELANE (0.31) ELANEMMP13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
WO-2010132670-A2 PENTACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A ELANE 841/4885CYP1A2 1596/4885CYP2C9 1796/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.